nickel;pentan-1-ol

C5H12NiO — CID 157287705

IUPACnickel;pentan-1-ol
SMILESCCCCCO.[Ni]
InChIInChI=1S/C5H12O.Ni/c1-2-3-4-5-6;/h6H,2-5H2,1H3;
InChIKeyBAKWDVFPQDAQNH-UHFFFAOYSA-N
MW146.84 g/mol
LogP1.17
Rot. Bonds3

About nickel;pentan-1-ol

nickel;pentan-1-ol (PubChem CID 157287705) has the molecular formula C5H12NiO and a molecular weight of 146.84 g/mol. Its IUPAC name is nickel;pentan-1-ol.

Molecular Properties

Compound Namenickel;pentan-1-ol
PubChem CID157287705
Molecular FormulaC5H12NiO
Molecular Weight146.84 g/mol
Exact Mass146.02
IUPAC Namenickel;pentan-1-ol
SMILESCCCCCO.[Ni]
InChIInChI=1S/C5H12O.Ni/c1-2-3-4-5-6;/h6H,2-5H2,1H3;
InChIKeyBAKWDVFPQDAQNH-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.84
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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decane;decan-1-ol
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dohexacontan-1-ol
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dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
gold;pentan-1-ol
CID 152701196
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of nickel;pentan-1-ol?
The IUPAC name of nickel;pentan-1-ol (CID 157287705) is nickel;pentan-1-ol.
What is the SMILES notation for nickel;pentan-1-ol?
The canonical SMILES for nickel;pentan-1-ol is CCCCCO.[Ni].
What is the InChIKey of nickel;pentan-1-ol?
The InChIKey is BAKWDVFPQDAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Ni/c1-2-3-4-5-6;/h6H,2-5H2,1H3;.
What are the key properties of nickel;pentan-1-ol?
nickel;pentan-1-ol has a molecular weight of 146.84 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;pentan-1-ol is sourced from PubChem (CID 157287705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).